1-(3-bromophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazole-3-carboxylic acid

Systemtic Name: 1-(3-bromophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazole-3-carboxylic acid Openeye Name: 1-(3-bromophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazole-3-carboxylic acid CAS Name: 1-(3-bromophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazole-3-carboxylic acid IUPAC Name: 1-(3-bromophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazole-3-carboxylic acid Traditional Name: 1-(3-bromophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazole-3-carboxylic acid Formula: C15H15BrN2O2 MolecularWeight: 335.1958

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(CC1)N(N=C2C(=O)O)C3=CC(=CC=C3)Br

Isomeric SMILES

C1CCC2=C(CC1)N(N=C2C(=O)O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C15H15BrN2O2/c16-10-5-4-6-11(9-10)18-13-8-3-1-2-7-12(13)14(17-18)15(19)20/h4-6,9H,1-3,7-8H2,(H,19,20)